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CHEBI:159818 - Lys-Asp-Trp

ChEBI IDCHEBI:159818
ChEBI NameLys-Asp-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O6
Net Charge0
Average Mass447.492
Monoisotopic Mass447.21178
SMILESNCCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H29N5O6/c22-8-4-3-6-14(23)19(29)25-16(10-18(27)28)20(30)26-17(21(31)32)9-12-11-24-15-7-2-1-5-13(12)15/h1-2,5,7,11,14,16-17,24H,3-4,6,8-10,22-23H2,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t14-,16-,17-/m0/s1
InChIKeyPHHYNOUOUWYQRO-XIRDDKMYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lys-Asp-Trp (CHEBI:159818) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid